diff --git a/arc/main.py b/arc/main.py index 9df94e0738..c25a66333e 100644 --- a/arc/main.py +++ b/arc/main.py @@ -711,7 +711,7 @@ def summary(self) -> dict: if output['convergence']: status_dict[label] = True logger.info(f'Species {label} converged successfully\n') - else: + elif not label.startswith('IRC_'): status_dict[label] = False job_type_status = {key: val for key, val in self.output[label]['job_types'].items() if key in self.job_types and self.job_types[key]} diff --git a/arc/scheduler.py b/arc/scheduler.py index 2b1662674c..8a4889a14e 100644 --- a/arc/scheduler.py +++ b/arc/scheduler.py @@ -2921,7 +2921,7 @@ def check_all_done(self, label: str): logger.info(f'\nAll jobs for species {label} successfully converged. ' f'Run time: {self.species_dict[label].run_time}') # Todo: any TS which did not converged (any rxn not calculated) should be reported here with full status: Was the family identified? Were TS guesses found? IF so, what's wrong? - elif not self.species_dict[label].is_ts or self.species_dict[label].ts_guesses_exhausted: + elif (not self.species_dict[label].is_ts or self.species_dict[label].ts_guesses_exhausted) and not label.startswith('IRC_'): job_type_status = {key: val for key, val in self.output[label]['job_types'].items() if key in self.job_types and self.job_types[key] and (key != 'irc' or self.species_dict[label].is_ts)}